2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]acetamide IUPAC Name: 2-[2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[2-keto-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C19H23N5O7S2 MolecularWeight: 497.54522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSCC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSCC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C19H23N5O7S2/c1-13-3-4-15(24(27)28)10-16(13)33(29,30)23-7-5-22(6-8-23)19(26)12-32-11-18(25)20-17-9-14(2)31-21-17/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,20,21,25)